3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-fluoro-3-pyridinyl)-6-hydroxybenzamide

C16H12FN5O2 — CID 146508077

IUPAC3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-fluoro-3-pyridinyl)-6-hydroxybenzamide
SMILESN#Cc1ccc(O)c(C(=O)NC2=NCCN2)c1-c1cnccc1F
InChIInChI=1S/C16H12FN5O2/c17-11-3-4-19-8-10(11)13-9(7-18)1-2-12(23)14(13)15(24)22-16-20-5-6-21-16/h1-4,8,23H,5-6H2,(H2,20,21,22,24)
InChIKeyBAPRULDWPWOQCC-UHFFFAOYSA-N
MW325.30 g/mol
LogP1.15
Rot. Bonds2

About 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-fluoro-3-pyridinyl)-6-hydroxybenzamide

3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-fluoro-3-pyridinyl)-6-hydroxybenzamide (PubChem CID 146508077) has the molecular formula C16H12FN5O2 and a molecular weight of 325.30 g/mol. Its IUPAC name is 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-fluoro-3-pyridinyl)-6-hydroxybenzamide.

Molecular Properties

Compound Name3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-fluoro-3-pyridinyl)-6-hydroxybenzamide
PubChem CID146508077
Molecular FormulaC16H12FN5O2
Molecular Weight325.30 g/mol
Exact Mass325.10
IUPAC Name3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-fluoro-3-pyridinyl)-6-hydroxybenzamide
SMILESN#Cc1ccc(O)c(C(=O)NC2=NCCN2)c1-c1cnccc1F
InChIInChI=1S/C16H12FN5O2/c17-11-3-4-19-8-10(11)13-9(7-18)1-2-12(23)14(13)15(24)22-16-20-5-6-21-16/h1-4,8,23H,5-6H2,(H2,20,21,22,24)
InChIKeyBAPRULDWPWOQCC-UHFFFAOYSA-N
XLogP1.15
TPSA110.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-fluoro-3-pyridinyl)-6-hydroxybenzamide?
The IUPAC name of 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-fluoro-3-pyridinyl)-6-hydroxybenzamide (CID 146508077) is 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-fluoro-3-pyridinyl)-6-hydroxybenzamide.
What is the SMILES notation for 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-fluoro-3-pyridinyl)-6-hydroxybenzamide?
The canonical SMILES for 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-fluoro-3-pyridinyl)-6-hydroxybenzamide is N#Cc1ccc(O)c(C(=O)NC2=NCCN2)c1-c1cnccc1F.
What is the InChIKey of 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-fluoro-3-pyridinyl)-6-hydroxybenzamide?
The InChIKey is BAPRULDWPWOQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O2/c17-11-3-4-19-8-10(11)13-9(7-18)1-2-12(23)14(13)15(24)22-16-20-5-6-21-16/h1-4,8,23H,5-6H2,(H2,20,21,22,24).
What are the key properties of 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-fluoro-3-pyridinyl)-6-hydroxybenzamide?
3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-fluoro-3-pyridinyl)-6-hydroxybenzamide has a molecular weight of 325.30 g/mol, XLogP of 1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-fluoro-3-pyridinyl)-6-hydroxybenzamide is sourced from PubChem (CID 146508077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).